Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Compute the buried surface area of two given partners
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#include <Buried_surface_area.hpp>
Public Types | |
typedef T_Molecular_structure_traits< ParticleWithSystemLabelTraits > | Molecular_structure_traits |
Traits clas defining types used for the Molecular Structure Classifier. More... | |
typedef Molecular_structure_traits::Partner_labels_traits | Partner_labels_traits |
Model of MolecularSystemLabelsTraits for partners' labels. More... | |
typedef Molecular_structure_traits::Molecular_structure | Alpha_complex |
Geometric representation of a molecule where particles have a label. More... | |
typedef ParticleBSARecord | Particle_BSA_record |
Constructors / Destructors | |
T_Buried_surface_area_with_labels (Alpha_complex &alpha_complex) | |
~T_Buried_surface_area_with_labels (void) | |
Functors | |
FT | operator() (Partner_label partner) const |
Returns the buried surface area of the partner with the input label. More... | |
std::list< Particle_BSA_record > & | get_by_particle_list () |
Returns the list containg BSA by particle, for serialization. More... | |
Compute the buried surface area of two given partners
Compute the buried surface area of two given partners
ParticleWithSystemLabelTraits | Model of the concept ParticleTraits where each particle has a system's label. |
FT | Number type used for representing the buried surface area (default is intervals of double). |
Geometric representation of a molecule where particles have a label.
typedef T_Molecular_structure_traits<ParticleWithSystemLabelTraits> Molecular_structure_traits |
Traits clas defining types used for the Molecular Structure Classifier.
ParticleWithSystemLabelTraits | Model of ParticleTraits with system's labels information. |
MolecularStructure | Geometric model of a molecule where particles have a system's label. |
typedef ParticleBSARecord Particle_BSA_record |
Model of MolecularSystemLabelsTraits for partners' labels.
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Returns the list containg BSA by particle, for serialization.
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Returns the buried surface area of the partner with the input label.